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MedKoo Cat#: 532948 | Name: VU0463841

Description:

WARNING: This product is for research use only, not for human or veterinary use.

VU0463841 is a negative allosteric modulators of mGlu5.

Chemical Structure

VU0463841
VU0463841
CAS#1439095-16-5

Theoretical Analysis

MedKoo Cat#: 532948

Name: VU0463841

CAS#: 1439095-16-5

Chemical Formula: C13H8ClFN4O

Exact Mass: 290.0370

Molecular Weight: 290.68

Elemental Analysis: C, 53.72; H, 2.77; Cl, 12.20; F, 6.54; N, 19.27; O, 5.50

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
VU0463841, VU-0463841, VU 0463841
IUPAC/Chemical Name
1-(5-chloropyridin-2-yl)-3-(3-cyano-5-fluorophenyl)urea
InChi Key
KDANLHLWAYNCMV-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H8ClFN4O/c14-9-1-2-12(17-7-9)19-13(20)18-11-4-8(6-16)3-10(15)5-11/h1-5,7H,(H2,17,18,19,20)
SMILES Code
O=C(NC1=CC(F)=CC(C#N)=C1)NC2=NC=C(Cl)C=C2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 290.68 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Amato RJ, Felts AS, Rodriguez AL, Venable DF, Morrison RD, Byers FW, Daniels JS, Niswender CM, Conn PJ, Lindsley CW, Jones CK, Emmitte KA. Substituted 1-Phenyl-3-(pyridin-2-yl)urea negative allosteric modulators of mGlu5: discovery of a new tool compound VU0463841 with activity in rat models of cocaine addiction. ACS Chem Neurosci. 2013 Aug 21;4(8):1217-28. doi: 10.1021/cn400070k. Epub 2013 May 29. PubMed PMID: 23682684; PubMed Central PMCID: PMC3750677.